4,5-dimethyltetracyclo[13.2.2.28,11.02,7]henicosa-1(17),2(7),3,5,8(21),9,11(20),15,18-nonaene

C23H22 — CID 626917

IUPAC4,5-dimethyltetracyclo[13.2.2.28,11.02,7]henicosa-1(17),2(7),3,5,8(21),9,11(20),15,18-nonaene
SMILESCc1cc2c(cc1C)-c1ccc(cc1)CCCc1ccc-2cc1
InChIInChI=1S/C23H22/c1-16-14-22-20-10-6-18(7-11-20)4-3-5-19-8-12-21(13-9-19)23(22)15-17(16)2/h6-15H,3-5H2,1-2H3
InChIKeyJQUFAUSIZHITJP-UHFFFAOYSA-N
MW298.43 g/mol
LogP6.13
Rot. Bonds

About 4,5-dimethyltetracyclo[13.2.2.28,11.02,7]henicosa-1(17),2(7),3,5,8(21),9,11(20),15,18-nonaene

4,5-dimethyltetracyclo[13.2.2.28,11.02,7]henicosa-1(17),2(7),3,5,8(21),9,11(20),15,18-nonaene (PubChem CID 626917) has the molecular formula C23H22 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4,5-dimethyltetracyclo[13.2.2.28,11.02,7]henicosa-1(17),2(7),3,5,8(21),9,11(20),15,18-nonaene.

Molecular Properties

Compound Name4,5-dimethyltetracyclo[13.2.2.28,11.02,7]henicosa-1(17),2(7),3,5,8(21),9,11(20),15,18-nonaene
PubChem CID626917
Molecular FormulaC23H22
Molecular Weight298.43 g/mol
Exact Mass298.17
IUPAC Name4,5-dimethyltetracyclo[13.2.2.28,11.02,7]henicosa-1(17),2(7),3,5,8(21),9,11(20),15,18-nonaene
SMILESCc1cc2c(cc1C)-c1ccc(cc1)CCCc1ccc-2cc1
InChIInChI=1S/C23H22/c1-16-14-22-20-10-6-18(7-11-20)4-3-5-19-8-12-21(13-9-19)23(22)15-17(16)2/h6-15H,3-5H2,1-2H3
InChIKeyJQUFAUSIZHITJP-UHFFFAOYSA-N
XLogP6.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4,5-dimethyltetracyclo[13.2.2.28,11.02,7]henicosa-1(17),2(7),3,5,8(21),9,11(20),15,18-nonaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyltetracyclo[13.2.2.28,11.02,7]henicosa-1(17),2(7),3,5,8(21),9,11(20),15,18-nonaene?
The IUPAC name of 4,5-dimethyltetracyclo[13.2.2.28,11.02,7]henicosa-1(17),2(7),3,5,8(21),9,11(20),15,18-nonaene (CID 626917) is 4,5-dimethyltetracyclo[13.2.2.28,11.02,7]henicosa-1(17),2(7),3,5,8(21),9,11(20),15,18-nonaene.
What is the SMILES notation for 4,5-dimethyltetracyclo[13.2.2.28,11.02,7]henicosa-1(17),2(7),3,5,8(21),9,11(20),15,18-nonaene?
The canonical SMILES for 4,5-dimethyltetracyclo[13.2.2.28,11.02,7]henicosa-1(17),2(7),3,5,8(21),9,11(20),15,18-nonaene is Cc1cc2c(cc1C)-c1ccc(cc1)CCCc1ccc-2cc1.
What is the InChIKey of 4,5-dimethyltetracyclo[13.2.2.28,11.02,7]henicosa-1(17),2(7),3,5,8(21),9,11(20),15,18-nonaene?
The InChIKey is JQUFAUSIZHITJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22/c1-16-14-22-20-10-6-18(7-11-20)4-3-5-19-8-12-21(13-9-19)23(22)15-17(16)2/h6-15H,3-5H2,1-2H3.
What are the key properties of 4,5-dimethyltetracyclo[13.2.2.28,11.02,7]henicosa-1(17),2(7),3,5,8(21),9,11(20),15,18-nonaene?
4,5-dimethyltetracyclo[13.2.2.28,11.02,7]henicosa-1(17),2(7),3,5,8(21),9,11(20),15,18-nonaene has a molecular weight of 298.43 g/mol, XLogP of 6.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyltetracyclo[13.2.2.28,11.02,7]henicosa-1(17),2(7),3,5,8(21),9,11(20),15,18-nonaene is sourced from PubChem (CID 626917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).